In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.81 | 6.67 | -43.95 | 3 | 3 | 1 | 46 | 280.432 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 5.31 | -4.79 | 2 | 3 | 0 | 41 | 279.424 | 11 | ↓ |